cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile

C14H25NO2Si — CID 125449778

IUPACcis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@]1(CC=O)CC[C@@H](C#N)C1
InChIInChI=1S/C14H25NO2Si/c1-13(2,3)18(4,5)17-14(8-9-16)7-6-12(10-14)11-15/h9,12H,6-8,10H2,1-5H3/t12-,14+/m1/s1
InChIKeyLHARDQLUVQXEMQ-OCCSQVGLSA-N
MW267.44 g/mol
LogP3.66
Rot. Bonds4

About cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile

cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile (PubChem CID 125449778) has the molecular formula C14H25NO2Si and a molecular weight of 267.44 g/mol. Its IUPAC name is cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile
PubChem CID125449778
Molecular FormulaC14H25NO2Si
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Namecis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@]1(CC=O)CC[C@@H](C#N)C1
InChIInChI=1S/C14H25NO2Si/c1-13(2,3)18(4,5)17-14(8-9-16)7-6-12(10-14)11-15/h9,12H,6-8,10H2,1-5H3/t12-,14+/m1/s1
InChIKeyLHARDQLUVQXEMQ-OCCSQVGLSA-N
XLogP3.66
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde
CID 125449879
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305445
tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane
CID 70179351
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305059
2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde
CID 86006235
(R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 172726101
1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one
CID 123838797
tert-butyl-dimethyl-(1-methyl-3-prop-2-ynylcyclopentyl)oxysilane
CID 88516741
ethyl 1-amino-3-cyanocyclopentane-1-carboxylate
CID 163217382
2-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolane-2-carbonitrile
CID 175184883
1-bicyclo[1.1.1]pentanyloxy-tert-butyl-dimethylsilane
CID 174174043

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile?
The IUPAC name of cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile (CID 125449778) is cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile is CC(C)(C)[Si](C)(C)O[C@]1(CC=O)CC[C@@H](C#N)C1.
What is the InChIKey of cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile?
The InChIKey is LHARDQLUVQXEMQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H25NO2Si/c1-13(2,3)18(4,5)17-14(8-9-16)7-6-12(10-14)11-15/h9,12H,6-8,10H2,1-5H3/t12-,14+/m1/s1.
What are the key properties of cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile?
cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile has a molecular weight of 267.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 125449778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).